3OWJ
Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.510, 46.030, 63.620 |
| Unit cell angles | 90.00, 111.79, 90.00 |
Refinement procedure
| Resolution | 29.120 - 1.850 |
| R-factor | 0.20051 |
| Rwork | 0.196 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.191 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.300 | 1.910 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.051 | 0.367 |
| Number of reflections | 26709 | |
| <I/σ(I)> | 18.7 | 3.9 |
| Completeness [%] | 97.0 | 92.7 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 36% polyethylene glycol 5000 monomethyl ether, 150 mM ammonium sulfate and 100 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
